551406

Sigma-Aldrich

α,α,α-Trifluorotoluene solution

NMR reference standard, 0.05% in benzene-d6 (99.6 atom % D)

Synonym(s):
Benzotrifluoride
Linear Formula:
C6H5CF3
CAS Number:
Molecular Weight:
146.11
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.12
Pricing and availability is not currently available.

Quality Level

grade

NMR reference standard

assay

99% (CP)

concentration

0.05% in benzene-d6 (99.6 atom % D)

application(s)

NMR: suitable

NMR tube size

5 mm × 7 in.
5 mm × 8 in.

SMILES string

FC(F)(F)c1ccccc1

InChI

1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChI key

GETTZEONDQJALK-UHFFFAOYSA-N

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Related Categories

Features and Benefits

19F sensitivity

Quantity

5 mm O.D. tube contains 0.700 mL.

Signal Word

Danger

Target Organs

Blood

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Hazard Codes

F,T

Risk Statement

45-46-11-36/38-48/23/24/25-65

Safety Statement

53-45

RIDADR

UN1114 - class 3 - PG 2 - Benzene, solution

WGK Germany

WGK 3

Flash Point(F)

12.0 °F - closed cup

Flash Point(C)

-11.11 °C - closed cup

Certificate of Analysis
Certificate of Origin
R A Yadav et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 64(2), 454-463 (2006-01-18)
Force field calculations have been carried out for 2-amino-5-chloro- and 2-amino-5-bromo-benzotrifluorides using the earlier (Ref. of this article) reported IR and Raman spectra. As the frequencies of the corresponding modes for the C-Br and the C-Cl groups do not differ...
Tao Tang et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 877(5-6), 507-512 (2009-01-24)
Eighteen samples of commercially available Chinese beer were analyzed in order to determine the content of biogenic amines. The method involves pre-column derivatization of the amines with 4-chloro-3,5-dinitrobenzotrifluoride (CNBF) and subsequent analysis by RP-HPLC (reversed phase-high performance liquid chromatography) with...
Bhawani Singh Rathore et al.
Bioorganic & medicinal chemistry, 14(16), 5678-5682 (2006-05-03)
7-Chloro-5-trifluoromethyl/7-fluoro/7-trifluoromethyl-4H-1,4-benzothiazines have been synthesized by 2-amino-5-fluoro/5-trifluoromethyl/5-chloro-3-trifluoromethyl benzenethiols condensed with beta-diketone/beta-ketoesters in the presence of DMSO involving oxidative cyclization. Pharmacological activities have also been included.
Hidetoshi Yamada et al.
Carbohydrate research, 337(7), 581-585 (2002-03-23)
A glycosylation reaction induced by copper(II) trifluoromethanesulfonate is described. Using benzotrifluoride as the reaction solvent, five kinds of glycosyl donors, a glucosyl chloride, a fluoride, a trichloroacetimidate, a 1-O-acetyl compound, and a lactol were activated to give the corresponding glucosides.
K H Engesser et al.
Applied microbiology and biotechnology, 32(5), 600-608 (1990-02-01)
Sixteen bacterial strains capable of degrading alkylbenzenes and alkylphenols were directly isolated from soil and water. The degradation pathways are discussed. Alkylcatechols are almost exclusively cleaved via meta-ring fission. Meta-cleavage of 3-trifluoromethyl-(TFM)-catechol was observed with all strains at different rates...
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Sigma-Aldrich.com provides an informational article regarding the use of stable, labeled isotopes as NMR reference standards.
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